Geometry & MOs

Info

ID:	225047
PubChem CID:	85735840
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	398.188195
ΔH_f, kcal/mol:	-111.68
Dipole, Da:	6.18
IP(EA), eV:	-10.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;2-benzyl-2-(3H-inden-1-yl)-1,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

CC(=NOC1CCCCO1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations